2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate

C12H14F3NO2 — CID 91693936

IUPAC2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
SMILESCN(C)CCOC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-16(2)7-8-18-11(17)9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyHSQHUZVHLXKCDK-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.42
Rot. Bonds4

About 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate

2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate (PubChem CID 91693936) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
PubChem CID91693936
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
SMILESCN(C)CCOC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-16(2)7-8-18-11(17)9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyHSQHUZVHLXKCDK-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl 4-fluoro-2-(trifluoromethyl)benzoate
CID 91693948
2-(dimethylamino)ethyl 2-fluorobenzoate
CID 3546835
2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate
CID 2329503
methyl 2-(trifluoromethyl)benzoate
CID 2775578
2,2,2-trichloroethyl 2-(trifluoromethyl)benzoate
CID 91726282
2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
CID 26543
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 8894072
2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate
CID 7730694
2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
CID 52998113
2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate
CID 13478528
pent-2-en-4-ynyl 2-(trifluoromethyl)benzoate
CID 531205

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate (CID 91693936) is 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate is CN(C)CCOC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate?
The InChIKey is HSQHUZVHLXKCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-16(2)7-8-18-11(17)9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate?
2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate has a molecular weight of 261.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 91693936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).